REMARK  Name = BDB037048
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.843  -2.455   1.196  0.00  0.00    +0.056 A 
ATOM      2  N   LIG    1        0.774  -1.695   2.335  0.00  0.00    -0.258 NA
ATOM      3  C   LIG    1        1.710  -0.733   2.522  0.00  0.00    +0.124 A 
ATOM      4  C   LIG    1        2.705  -0.530   1.605  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1        3.803   0.430   1.601  0.00  0.00    +0.249 C 
ATOM      6  N   LIG    1        4.567   0.152   0.476  0.00  0.00    -0.282 N 
ATOM      7  C   LIG    1        3.934  -0.849  -0.375  0.00  0.00    +0.144 C 
ATOM      8  O   LIG    1        3.964   1.298   2.435  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        2.779  -1.298   0.453  0.00  0.00    -0.015 A 
ATOM     10  C   LIG    1        1.839  -2.283   0.225  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        5.628   1.017  -0.033  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        5.050   2.257  -0.731  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        3.970   2.259  -1.322  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        5.869   3.362  -0.773  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        5.503   4.164  -1.268  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        7.164   3.468  -0.333  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        7.833   4.469  -0.572  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        7.742   2.263   0.371  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        6.652   1.428   1.024  0.00  0.00    +0.041 C 
ENDBRANCH   6  11
BRANCH   1  20
ATOM     20  C   LIG    1       -0.226  -3.525   1.001  0.00  0.00    +0.140 C 
BRANCH  20  25
ATOM     21  C   LIG    1       -4.286   0.215  -0.103  0.00  0.00    +0.403 C 
ATOM     22  N   LIG    1       -3.292  -0.727   0.054  0.00  0.00    -0.265 N 
ATOM     23  C   LIG    1       -2.577  -0.838   1.325  0.00  0.00    +0.126 C 
ATOM     24  C   LIG    1       -2.263  -2.306   1.668  0.00  0.00    +0.104 C 
ATOM     25  N   LIG    1       -1.566  -3.062   0.607  0.00  0.00    -0.294 NA
ATOM     26  C   LIG    1       -1.602  -2.393  -0.703  0.00  0.00    +0.104 C 
ATOM     27  C   LIG    1       -2.948  -1.701  -0.981  0.00  0.00    +0.126 C 
ATOM     28  O   LIG    1       -4.590   1.033   0.755  0.00  0.00    -0.226 OA
BRANCH  21  29
ATOM     29  O   LIG    1       -4.885   0.116  -1.319  0.00  0.00    -0.445 OA
BRANCH  29  31
ATOM     30  C   LIG    1       -6.362   0.557  -3.109  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1       -5.978   0.994  -1.687  0.00  0.00    +0.107 C 
ATOM     32  C   LIG    1       -7.189   0.789  -0.770  0.00  0.00    +0.055 C 
ATOM     33  C   LIG    1       -5.530   2.460  -1.730  0.00  0.00    +0.055 C 
ENDBRANCH  29  31
ENDBRANCH  21  29
ENDBRANCH  20  25
ENDBRANCH   1  20
TORSDOF 5